SCHEMBL4325686

SCHEMBL4325686

Cn1c(CN2CCN(c3ncccc3C#N)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.58
HTR2A P28223 5/20 0.58
HTR1A P08908 2/20 0.52
HTR7 P34969 2/20 0.52
DRD4 P21917 3/20 0.48
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4341011 0.86 SMN1; SMN2 (0.49) DRD2HTR2AHTR1ADRD4ALDH1A1
SCHEMBL4333241 0.86 SMN1; SMN2 (0.51) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL4339034 0.83 HSD11B1 (0.61) ALDH1A1HSD11B1
SCHEMBL4320070 0.80 ALDH1A1 (0.56) DRD2HTR7DRD4ALDH1A1MAPT
SCHEMBL4331115 0.79 GPR39 (0.46) HTR7
SCHEMBL4332484 0.77 SMN1; SMN2 (0.56) DRD2HTR1AHTR7DRD4ALDH1A1
SCHEMBL4325798 0.76 DRD4 (0.56) DRD2HTR1AHTR7DRD4ALDH1A1
SCHEMBL4327122 0.76 DRD4 (0.46) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL8260671 0.75 ALDH1A1 (0.50) DRD2HTR1AHTR7DRD4ALDH1A1
SCHEMBL4325976 0.75 ALDH1A1 (0.50) HTR7DRD4ALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A DRD2 121/4885HTR2A 136/4885HTR1A 38/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.